4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide

C15H26N4O — CID 77032034

IUPAC4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC)CC(C)NCc1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H26N4O/c1-4-19(5-2)11-12(3)17-10-13-6-8-14(9-7-13)15(16)18-20/h6-9,12,17,20H,4-5,10-11H2,1-3H3,(H2,16,18)
InChIKeyWXLUXORUKJRNJJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.60
Rot. Bonds8

About 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide

4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77032034) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77032034
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC)CC(C)NCc1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H26N4O/c1-4-19(5-2)11-12(3)17-10-13-6-8-14(9-7-13)15(16)18-20/h6-9,12,17,20H,4-5,10-11H2,1-3H3,(H2,16,18)
InChIKeyWXLUXORUKJRNJJ-UHFFFAOYSA-N
XLogP1.60
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-ethoxypropan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032610
N'-hydroxy-4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzenecarboximidamide
CID 77029668
N'-hydroxy-4-[(3-methylbutylamino)methyl]benzenecarboximidamide
CID 77025588
N'-hydroxy-4-[(1-phenylpropylamino)methyl]benzenecarboximidamide
CID 77030088
N'-hydroxy-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzenecarboximidamide
CID 81408328
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol
CID 125443275
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102993661
N'-hydroxy-4-[(2-hydroxypentylamino)methyl]benzenecarboximidamide
CID 113495841
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743
(2S)-2-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 95189212

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide (CID 77032034) is 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide is CCN(CC)CC(C)NCc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WXLUXORUKJRNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19(5-2)11-12(3)17-10-13-6-8-14(9-7-13)15(16)18-20/h6-9,12,17,20H,4-5,10-11H2,1-3H3,(H2,16,18).
What are the key properties of 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide?
4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 278.40 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77032034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).